2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-alpha,alpha-trehalose (CHEBI:90353)

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CHEBI:90353 - 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose

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ChEBI ID	CHEBI:90353
ChEBI Name	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose
Stars
ASCII Name	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-alpha,alpha-trehalose
Definition	A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S,8S)-2,4,6,8-tetramethyltriacontanoic acid.
Last Modified	7 January 2020
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C62H116O16S
Net Charge	0
Average Mass	1149.661
Monoisotopic Mass	1148.79841
SMILES	CCCCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C62H116O16S/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(3)42-48(4)43-49(5)44-50(6)60(69)76-57-55(67)52(46-64)74-62(77-61-58(78-79(70,71)72)56(68)54(66)51(45-63)73-61)59(57)75-53(65)41-39-37-35-33-31-28-20-18-16-14-12-10-8-2/h44,47-49,51-52,54-59,61-64,66-68H,7-43,45-46H2,1-6H3,(H,70,71,72)/b50-44+/t47-,48-,49-,51+,52+,54+,55+,56-,57-,58+,59+,61+,62+/m0/s1
InChIKey	GLJUBKGTIIHCAK-JQTOCHDZSA-N

Roles Classification

Biological Role:

allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology

Outgoing Relation(s)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) has functional parent α,α-trehalose (CHEBI:16551)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) has role allergen (CHEBI:50904)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
	2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) is a sulfoglycolipid (CHEBI:26829)

IUPAC Name
2-O-sulfo-α-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α-D-glucopyranoside

Synonyms	Source
2-O-sulfo-α-D-glucopyranosyl 2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α-D-glucopyranoside	IUPAC
SL37	ChEBI
sulfoglycolipid 37	ChEBI
SL-37	ChEBI
sulfoglycolipid-37	ChEBI

Citations